Geometry & MOs

Info

ID:	329369
PubChem CID:	126735535
Reduced:	ClFN2C26H36 (1)
Stoich.:	ABC2D26E36 (1)
Weight, g/mol:	437.230097
ΔH_f, kcal/mol:	8.21
Dipole, Da:	5.54
IP(EA), eV:	-8.32(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(Z)-1-[3-ethyl-4-(6-methyl-1,6-dihydropyridazin-4-yl)phenyl]prop-1-enyl]amino]-1-(2-fluorophenyl)-2-methylpropane-2-thiol

Drug info:

PubChemData

Smile

CCC1=C(C(C=CC(=C1)C(=C)NC/C(=C(/C=C\C)\F)/CCl)C(C=C)C(=CNC)C)C

DOS

IR

Vibrations